SCHEMBL3021789

SCHEMBL3021789

Cc1ccc(S(=O)(=O)OC[C@H]2CCN(C(=O)O)C[C@@H]2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.44
CYP1A2 P05177 1/20 0.44
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
STAT3 P40763 1/20 0.39
KMT2A Q03164 2/20 0.39
CYP46A1 Q9Y6A2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3021790 1.00 CYP2D6 (0.44) CYP2D6CYP1A2ALDH1A1KDM4ELMNA
SCHEMBL5501024 1.00 CYP2D6 (0.44) CYP2D6CYP1A2ALDH1A1KDM4ELMNA
SCHEMBL3021792 1.00 CYP2D6 (0.44) CYP2D6CYP1A2ALDH1A1KDM4ELMNA
SCHEMBL26906971 0.89 STAT3 (0.41) CYP2D6CYP1A2ALDH1A1KDM4ELMNA
SCHEMBL505550 0.85 GPR119 (0.48) KMT2A
SCHEMBL856350 0.85 GPR119 (0.48) KMT2A
SCHEMBL857313 0.85 GPR119 (0.48) KMT2A
SCHEMBL856351 0.85 GPR119 (0.48) KMT2A
SCHEMBL29895401 0.85 GPR119 (0.48) KMT2A
SCHEMBL856352 0.85 GPR119 (0.48) KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780843-B2 Compounds active towards nuclear receptors NUEVOLUTION A/S (DK) 2023-10-10 US disclosed
US-20230271937-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2023-08-31 US disclosed
US-11685727-B2 Compounds active towards nuclear receptors NUEVOLUTION A/S (DK) 2023-06-27 US disclosed
US-11613532-B2 Compounds active towards nuclear receptors NUEVOLUTION A/S (DK) 2023-03-28 US disclosed
EP-4126875-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS Nuevolution A/S (DK) 2023-02-08 EP disclosed
EP-4126874-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS Nuevolution A/S (DK) 2023-02-08 EP disclosed
CN-114728170-A Compounds active on nuclear receptors 纽韦卢森公司 2022-07-08 CN disclosed
WO-2021198955-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2021-10-07 WO disclosed
WO-2021198956-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2021-10-07 WO disclosed
WO-2021124279-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2021-06-24 WO disclosed
EP-1641784-A1 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4 -ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-05 EP disclosed
EP-1140915-B1 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES FOR TREATING GASTROINTESTINAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2005-06-15 EP disclosed
WO-2005000838-A1 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-06 WO disclosed
US-20040058958-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives BOSMANS JEAN-PAUL RENE MARIE A (BE) 2004-03-25 US disclosed
US-6635643-B2 For treating conditions which are related to impairment of gastric emptying JANSSEN PHARMACEUTICA, N.V. (BE) 2003-10-21 US disclosed
US-20030181456-A1 4-(aminomethyl)-piperidine benzamides for treating gastrointestinal disorders BOSMANS JEAN-PAUL RENE MARIE A (BE) 2003-09-25 US disclosed
US-6544997-B1 E.g., hypermotility, irritable bowel syndrome, bowel hypersensitivity and the reduction of pain associated with gastrointestinal hypersensitivity and/or hyperactivity JANSSEN PHARMACEUTICA, N.V. (BE) 2003-04-08 US disclosed
EP-0991410-B1 GASTROKINETIC BICYCLIC BENZAMIDES OF 3- OR 4-SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2002-10-30 EP disclosed
US-20020086879-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives BOSMANS JEAN-PAUL RENE MARIE A (BE) 2002-07-04 US disclosed
EP-1206938-A1 Gastrokinetic bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)- piperdine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2002-05-22 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11780843-B2 Compounds active towards nuclear receptors NCOA1, NR1H2, NCOA3 CYP2D6 1289/4885CYP1A2 816/4885ALDH1A1 1638/4885
US-11685727-B2 Compounds active towards nuclear receptors NCOA1, NR1H2, NCOA3 CYP2D6 1289/4885CYP1A2 816/4885ALDH1A1 1638/4885
US-20030181456-A1 4-(aminomethyl)-piperidine benzamides for treating gastrointestinal disorders HRH2, ALK, CBR1 CYP2D6 36/4885CYP1A2 284/4885ALDH1A1 1167/4885
US-11613532-B2 Compounds active towards nuclear receptors NCOA1, NR1H2, NCOA3 CYP2D6 1289/4885CYP1A2 816/4885ALDH1A1 1638/4885
US-20020086879-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives CBR1, ALK, CBR3 CYP2D6 40/4885CYP1A2 635/4885ALDH1A1 1428/4885
US-20230271937-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NCOA1, NR1H2, NCOA3 CYP2D6 1289/4885CYP1A2 816/4885ALDH1A1 1638/4885
US-20040058958-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives ALK, HRH2, CBR1 CYP2D6 39/4885CYP1A2 498/4885ALDH1A1 1716/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.